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BDBM50067076 CHEMBL341025::N-(3-Pyridin-2-yl-isoquinolin-1-yl)-formamidine

SMILES: NC=Nc1nc(cc2ccccc12)-c1ccccn1

InChI Key: InChIKey=RPFFLRYCJWUOBP-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50067076   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067076
PNG
(CHEMBL341025 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)...)
Show SMILES NC=Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N4/c16-10-18-15-12-6-2-1-5-11(12)9-14(19-15)13-7-3-4-8-17-13/h1-10H,(H2,16,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067076
PNG
(CHEMBL341025 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)...)
Show SMILES NC=Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N4/c16-10-18-15-12-6-2-1-5-11(12)9-14(19-15)13-7-3-4-8-17-13/h1-10H,(H2,16,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair